1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide

C19H20F2N2O2 — CID 86272518

IUPAC1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)CCC(c2cncc(F)c2)CC1
InChIInChI=1S/C19H20F2N2O2/c1-12-16(3-2-4-17(12)21)19(18(24)23-25)7-5-13(6-8-19)14-9-15(20)11-22-10-14/h2-4,9-11,13,25H,5-8H2,1H3,(H,23,24)
InChIKeySEMVOCUFRMPVHZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.77
Rot. Bonds3

About 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide

1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide (PubChem CID 86272518) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide
PubChem CID86272518
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide
SMILESCc1c(F)cccc1C1(C(=O)NO)CCC(c2cncc(F)c2)CC1
InChIInChI=1S/C19H20F2N2O2/c1-12-16(3-2-4-17(12)21)19(18(24)23-25)7-5-13(6-8-19)14-9-15(20)11-22-10-14/h2-4,9-11,13,25H,5-8H2,1H3,(H,23,24)
InChIKeySEMVOCUFRMPVHZ-UHFFFAOYSA-N
XLogP3.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide (CID 86272518) is 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide is Cc1c(F)cccc1C1(C(=O)NO)CCC(c2cncc(F)c2)CC1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide?
The InChIKey is SEMVOCUFRMPVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-12-16(3-2-4-17(12)21)19(18(24)23-25)7-5-13(6-8-19)14-9-15(20)11-22-10-14/h2-4,9-11,13,25H,5-8H2,1H3,(H,23,24).
What are the key properties of 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide?
1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-4-(5-fluoro-3-pyridinyl)-N-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 86272518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).